Information card for entry 7107145

Structure parameters

• Formula: C26 H42 O4 Si
• Calculated formula: C26 H42 O4 Si
• SMILES: CC(C)(C)[Si](C)(C)OCC1=CC[C@](C)([C@H]2[C@]1(/C=C/C(=O)C)OC(=O)C2)CCC=C(C)C
• Title of publication: Enantioselective total synthesis of (‒)-neovibsanin G and (?-)-14-epi-neovibsanin G
• Authors of publication: Jeffrey Mak; Craig Williams
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 287
• a: 29.984 ± 0.002 Å
• b: 6.1034 ± 0.0004 Å
• c: 15.0712 ± 0.0009 Å
• α: 90°
• β: 96.152 ± 0.006°
• γ: 90°
• Cell volume: 2742.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1158
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 0.705
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No